N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide

C15H19NO3S2 — CID 113100291

IUPACN-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCC(C)c1cccc(OCCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H19NO3S2/c1-12(2)13-5-3-6-14(11-13)19-9-8-16-21(17,18)15-7-4-10-20-15/h3-7,10-12,16H,8-9H2,1-2H3
InChIKeyGRFSMZOCUXXPGV-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide

N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 113100291) has the molecular formula C15H19NO3S2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID113100291
Molecular FormulaC15H19NO3S2
Molecular Weight325.45 g/mol
Exact Mass325.08
IUPAC NameN-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide
SMILESCC(C)c1cccc(OCCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H19NO3S2/c1-12(2)13-5-3-6-14(11-13)19-9-8-16-21(17,18)15-7-4-10-20-15/h3-7,10-12,16H,8-9H2,1-2H3
InChIKeyGRFSMZOCUXXPGV-UHFFFAOYSA-N
XLogP3.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide
CID 51307272
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide (CID 113100291) is N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide is CC(C)c1cccc(OCCNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is GRFSMZOCUXXPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-12(2)13-5-3-6-14(11-13)19-9-8-16-21(17,18)15-7-4-10-20-15/h3-7,10-12,16H,8-9H2,1-2H3.
What are the key properties of N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide?
N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 325.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113100291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).